Ghent University Academic Bibliography

Journal Article
A1
open access

Method for making 2-electron response reduced density matrices approximately N-representable

Caitlin Lanssens (UGent) , Paul W Ayers, Dimitri Van Neck (UGent) , Stijn De Baerdemacker (UGent) , Klaas Gunst and Patrick Bultinck (UGent)

(2018) JOURNAL OF CHEMICAL PHYSICS. 148(8).

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Journal Article
A1
open access

Variational method for integrability-breaking Richardson-Gaudin models

Pieter Claeys (UGent) , Jean-Sébastien Caux, Dimitri Van Neck (UGent) and Stijn De Baerdemacker (UGent)

(2017) PHYSICAL REVIEW B. 96(15).

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Journal Article
A1
open access

Strategies for extending geminal-based wavefunctions : open shells and beyond

Paul A Johnson, Peter A Limacher, Taewon D Kim, Michael Richer, Ramon Alain Miranda-Quintana, Farnaz Heidar Zadeh (UGent) , Paul W Ayers, Patrick Bultinck (UGent) , Stijn De Baerdemacker (UGent) and Dimitri Van Neck (UGent)

(2017) COMPUTATIONAL AND THEORETICAL CHEMISTRY. 1116. p.207-219

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Journal Article
A1
open access

Eigenvalue-based method and form-factor determinant representations for integrable XXZ Richardson-Gaudin models

Pieter Claeys (UGent) , Stijn De Baerdemacker (UGent) , Mario Van Raemdonck (UGent) and Dimitri Van Neck (UGent)

(2015) PHYSICAL REVIEW B. 91(15).

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Variational optimization of the second-order density matrix corresponding to a seniority-zero configuration interaction wave function

Ward Poelmans (UGent) , Mario Van Raemdonck (UGent) , Brecht Verstichel (UGent) , Stijn De Baerdemacker (UGent) , Alicia Torre, Luis Lain, Gustavo E Massaccesi, Diego R Alcoba, Patrick Bultinck (UGent) and Dimitri Van Neck (UGent)

(2015) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 11(9). p.4064-4076

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Journal Article
A1
open access

Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions

Mario Van Raemdonck (UGent) , Diego R Alcoba, Ward Poelmans (UGent) , Stijn De Baerdemacker (UGent) , Alicia Torre, Luis Lain, Gustavo E Massaccesi, Dimitri Van Neck (UGent) and Patrick Bultinck (UGent)

(2015) JOURNAL OF CHEMICAL PHYSICS. 143(10).

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Journal Article
A1
open access

Efficient description of strongly correlated electrons with mean-field cost

Katharina Boguslawski, Paweł Tecmer, Paul W Ayers, Patrick Bultinck (UGent) , Stijn De Baerdemacker (UGent) and Dimitri Van Neck (UGent)

(2014) PHYSICAL REVIEW B. 89(20).

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Assessing the accuracy of new geminal-based approaches

Paweł Tecmer, Katharina Boguslawski, Paul Johnson (UGent) , Peter A Limacher, Matthew Chan, Toon Verstraelen (UGent) and Paul W Ayers

(2014) JOURNAL OF PHYSICAL CHEMISTRY A. 118(39). p.9058-9068

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Journal Article
A1
open access

The influence of orbital rotation on the energy of closed-shell wavefunctions

Peter A Limacher, Taewon D Kim, Paul W Ayers, Paul Johnson (UGent) , Stijn De Baerdemacker (UGent) , Dimitri Van Neck (UGent) and Patrick Bultinck (UGent)

(2014) MOLECULAR PHYSICS. 112(5-6). p.853-862

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Nonvariational orbital optimization techniques for the AP1roG wave function

Katharina Boguslawski, Pawel Tecmer, Patrick Bultinck (UGent) , Stijn De Baerdemacker (UGent) , Dimitri Van Neck (UGent) and Paul W Ayers

(2014) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 10(11). p.4873-4882

Academic Bibliography

Method for making 2-electron response reduced density matrices approximately N-representable

Variational method for integrability-breaking Richardson-Gaudin models

Strategies for extending geminal-based wavefunctions : open shells and beyond

Eigenvalue-based method and form-factor determinant representations for integrable XXZ Richardson-Gaudin models

Variational optimization of the second-order density matrix corresponding to a seniority-zero configuration interaction wave function

Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions

Efficient description of strongly correlated electrons with mean-field cost

Assessing the accuracy of new geminal-based approaches

The influence of orbital rotation on the energy of closed-shell wavefunctions

Nonvariational orbital optimization techniques for the AP1roG wave function

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